UCSF

ZINC10547500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2007 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 -5.08 -27.51 3 8 0 117 427.482 7
Hi High (pH 8-9.5) 2.26 -4.51 -54.15 2 8 -1 119 426.474 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )